CrFe4SiB2 (P4/mmm) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.6331 eV; energy change = -0.1446 eV; symmetry: P4/mmm → P4/mmm
CrFe4SiB2 (P4/mmm)
.cif fileFe4CrSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4CrSiB2)
3moCrFe4SiB2 phase diagram
.html filePhase diagram of CrFe4SiB2; e_above_hull: 0.468666 eV/atom; predicted_stable: False
3mo
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